4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0654 |
| Compound Name: | 4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.6 |
| Molecular Formula: | C20 H26 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7412 |
| logD: | 0.8033 |
| logSw: | -3.1981 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.893 |
| InChI Key: | VJJUNWQWIQKXPI-UHFFFAOYSA-N |